[(2R,4R,5R)-4-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-2-yl]methanol

C11H15N5O3 — CID 101351656

IUPAC[(2R,4R,5R)-4-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-2-yl]methanol
SMILESNc1ncnc2c1ncn2[C@@H]1C[C@H](CO)O[C@H]1CO
InChIInChI=1S/C11H15N5O3/c12-10-9-11(14-4-13-10)16(5-15-9)7-1-6(2-17)19-8(7)3-18/h4-8,17-18H,1-3H2,(H2,12,13,14)/t6-,7-,8+/m1/s1
InChIKeyBNCGXWUHFHKRDK-PRJMDXOYSA-N
MW265.27 g/mol
LogP-0.91
Rot. Bonds3

About [(2R,4R,5R)-4-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-2-yl]methanol

[(2R,4R,5R)-4-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-2-yl]methanol (PubChem CID 101351656) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is [(2R,4R,5R)-4-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,4R,5R)-4-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-2-yl]methanol
PubChem CID101351656
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name[(2R,4R,5R)-4-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-2-yl]methanol
SMILESNc1ncnc2c1ncn2[C@@H]1C[C@H](CO)O[C@H]1CO
InChIInChI=1S/C11H15N5O3/c12-10-9-11(14-4-13-10)16(5-15-9)7-1-6(2-17)19-8(7)3-18/h4-8,17-18H,1-3H2,(H2,12,13,14)/t6-,7-,8+/m1/s1
InChIKeyBNCGXWUHFHKRDK-PRJMDXOYSA-N
XLogP-0.91
TPSA119.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [(2R,4R,5R)-4-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-2-yl]methanol with MolForge

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Related Compounds

magnesium;(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol;hydride
CID 174820086
(2S,3R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 125344325
(2S,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 7059421
(2R,3R,4R)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 11425245
[(1S,2R,4S,5R)-4-(6-aminopurin-9-yl)-3-oxabicyclo[3.1.0]hexan-2-yl]methanol
CID 10634219
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)(313C)oxolan-3-ol;hydrate
CID 165412978
[(5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol
CID 135258304
(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxane-3,4-diol
CID 10660443
(2R,3S,4S,6R)-6-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxane-3,4-diol
CID 21139829
[4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol
CID 10105922
[(1R,2R,4S,5S)-4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol
CID 101208456
(2R,3S,4S,5S)-7-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxepane-3,4,5-triol
CID 143417477

Frequently Asked Questions

What is the IUPAC name of [(2R,4R,5R)-4-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-2-yl]methanol?
The IUPAC name of [(2R,4R,5R)-4-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-2-yl]methanol (CID 101351656) is [(2R,4R,5R)-4-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-2-yl]methanol.
What is the SMILES notation for [(2R,4R,5R)-4-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-2-yl]methanol?
The canonical SMILES for [(2R,4R,5R)-4-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-2-yl]methanol is Nc1ncnc2c1ncn2[C@@H]1C[C@H](CO)O[C@H]1CO.
What is the InChIKey of [(2R,4R,5R)-4-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-2-yl]methanol?
The InChIKey is BNCGXWUHFHKRDK-PRJMDXOYSA-N. The full InChI is InChI=1S/C11H15N5O3/c12-10-9-11(14-4-13-10)16(5-15-9)7-1-6(2-17)19-8(7)3-18/h4-8,17-18H,1-3H2,(H2,12,13,14)/t6-,7-,8+/m1/s1.
What are the key properties of [(2R,4R,5R)-4-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-2-yl]methanol?
[(2R,4R,5R)-4-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-2-yl]methanol has a molecular weight of 265.27 g/mol, XLogP of -0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R,5R)-4-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-2-yl]methanol is sourced from PubChem (CID 101351656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).